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N-[4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-[2-(2,4-di-tert-pentylphenoxy)acetamido]benzamide
SpectraBase Compound ID 91aPaluDLvI
InChI InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)
InChIKey QDIMMGOJTIUSOA-UHFFFAOYSA-N
Mol Weight 672.1 g/mol
Molecular Formula C34H37Cl3N4O4
Exact Mass 670.188039 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CB2UO5NP6J3
Name N-[4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-[2-(2,4-di-tert-pentylphenoxy)acetamido]benzamide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 387533
CAS Registry Number 31188-91-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H37Cl3N4O4
InChI InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)
InChIKey QDIMMGOJTIUSOA-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide
Wiley ID SIAL_13CNMR_008441